null

SMILES: CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12

InChI Key: InChIKey=VLUBTOWPSSUPGL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50454641   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50454641 (CHEMBL4206363) Show SMILES CCCCNc1nc(N)nc2cccc(OCc3cccnc3)c12 Show InChI InChI=1S/C18H21N5O/c1-2-3-10-21-17-16-14(22-18(19)23-17)7-4-8-15(16)24-12-13-6-5-9-20-11-13/h4-9,11H,2-3,10,12H2,1H3,(H3,19,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases Diagnostics BVBA Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 28: 711-719 (2018) Article DOI: 10.1016/j.bmcl.2018.01.014 BindingDB Entry DOI: 10.7270/Q2K35X8K
					More data for this Ligand-Target Pair